| SpectraBase Compound ID | BUIgveo0MlD |
|---|---|
| InChI | InChI=1S/C51H78O18/c1-11-24(3)42(62)68-39-40(69-43(63)25(4)12-2)51(23-53)27(19-46(39,5)6)26-13-14-30-47(7)17-16-32(48(8,22-52)29(47)15-18-49(30,9)50(26,10)20-31(51)55)65-45-38(35(58)34(57)37(66-45)41(60)61)67-44-36(59)33(56)28(54)21-64-44/h11-13,27-40,44-45,52-59H,14-23H2,1-10H3,(H,60,61)/b24-11-,25-12-/t27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38+,39-,40-,44-,45+,47-,48+,49+,50+,51-/m0/s1 |
| InChIKey | SHFQBSKYIGKQAO-CQKQYEDASA-N |
| Mol Weight | 979.2 g/mol |
| Molecular Formula | C51H78O18 |
| Exact Mass | 978.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CVed3HBtq4u |
|---|---|
| Name | 3-O-BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-21-BETA,22-ALPHA-DI-O-ANGELOYL-PROTOAESCIGENIN |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H78O18 |
| InChI | InChI=1S/C51H78O18/c1-11-24(3)42(62)68-39-40(69-43(63)25(4)12-2)51(23-53)27(19-46(39,5)6)26-13-14-30-47(7)17-16-32(48(8,22-52)29(47)15-18-49(30,9)50(26,10)20-31(51)55)65-45-38(35(58)34(57)37(66-45)41(60)61)67-44-36(59)33(56)28(54)21-64-44/h11-13,27-40,44-45,52-59H,14-23H2,1-10H3,(H,60,61)/b24-11-,25-12-/t27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38+,39-,40-,44-,45+,47-,48+,49+,50+,51-/m0/s1 |
| InChIKey | SHFQBSKYIGKQAO-CQKQYEDASA-N |
| Literature Reference Author | L.VOUTQUENNE,P.GUINOT,C.FROISSARD,O.THOISON,M.LITAUDON,C.LAV AUD |
| Literature Reference Citation | PHYTOCHEM.,66,825(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.02.009 |
| Molecular Weight | 979.170 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32552 |